2025-02-22_00000216
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ligand
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7HZ9
Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0036390-001 (A71EV2A-x4514);
X-ray diffraction 1.54Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1BPF
InChI=1S/C15H20N2O3/c16-13(18)11-3-1-7-17(9-11)14(19)15(5-2-6-15)12-4-8-20-10-12/h4,8,10-11H,1-3,5-7,9H2,(H2,16,18)/t11-/m0/s1
InChI=1S/C15H20N2O3/c16-13(18)11-3-1-7-17(9-11)14(19)15(5-2-6-15)12-4-8-20-10-12/h4,8,10-11H,1-3,5-7,9H2,(H2,16,18)/t11-/m0/s1
SMILES: c1cocc1C2(CCC2)C(=O)N3CCC[C@@H](C3)C(=O)N
c1cocc1C2(CCC2)C(=O)N3CCC[C@@H](C3)C(=O)N
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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